Wednesday, October 24, 2007: 1:55 PM-5:00 PM
Redbud A (Greenville Hyatt Regency Hotel)
Analytical, Environmental and Physical Chemistry (9)
Modeling of Covalent Bonding Interactions I
Sponsor: ACS Division of Physical Chemistry
Presider:Steven J. Stuart
Organizers:Steven J. Stuart
D. W. Brenner
1:55 PMWelcoming Remarks
2:00 PMAddressing Practical Issues in Developing a Reactive Empirical Bond Order Potential: A Transferable Potential for N-H Species
Yanhong Hu, D. W. Brenner
2:40 PMRecent Advances in Bond-Order Potential Development
Tao Liang, Boris Ni, SeongJun Heo, Wen-Dung Hsu, Tzu-Ray Shan, Simon Phillpot, Susan Sinnott
3:20 PMBreak
3:40 PMDevelopment and Application of Angular-Dependent Embedded Atom Method Potential for Atomistic Modeling of Metal-Si/Ge Systems
Avinash M. Dongare, Matthew Neurock, Leonid V. Zhigilei
4:20 PMDevelopment of a ReaxFF Potential for Simulating Chemistry in the Aqueous Phase
Adri C.T. Van Duin, Vyacheslav Bryantsev, Bill Goddard

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